mordred.FragmentComplexity module¶
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class
mordred.FragmentComplexity.
FragmentComplexity
[source]¶ Bases:
mordred._base.descriptor.Descriptor
fragment complexity descriptor.
\[{\rm fragCpx} = \left| B^2 - A^2 + A \right| + \frac{H}{100}\]where \(A\) is number of atoms, \(B\) is number of bonds, \(H\) is number of hetero atoms
- References
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explicit_hydrogens
= False¶
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as_argument
¶ argument representation of descriptor
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coord
¶ get 3D coordinate
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fail
(exception)¶ raise known exception and return missing value
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kekulize
= False¶
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mol
¶ get molecule
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require_3D
= False¶
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require_connected
= False¶
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rethrow_na
(exception)¶ treat any exceptions as known exception
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rethrow_zerodiv
()¶ treat zero div as known exception